Questions tagged [computational-physics]

Computational physics is the study and implementation of numerical algorithms to solve problems in physics for which a quantitative theory already exists.

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35 views

Can I get a symbolic solution for these coupled ODEs?

I found this IPython notebook called ‘Roller Coaster’ from", "numfys.net, where they model the movement of a ball over a path described by a third-degree polynomial $y(x)$ with slope $\...
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29 views

Comparison of computational complexities of MD versus MC simulations

In my humble understanding MD simulations of systems with short-range(like LJ interactions) and long-range(electrostatic) has a computational complexity $O(N . log(N))$. What will be the computational ...
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4k views

Calculating the log-determinant of a large sparse matrix

I need to calculate $\log(\det (\mathbf M_i))$ where the $\mathbf M_i$'s are large sparse matrices, which are real, symmetric and positive semi-definite. I hope to have between $10$ and $100$ of ...
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1answer
732 views

Help with Fourier beam propagation method

I am working on implementing the Fourier beam propagation method in C++. I am really more of a programmer than a physicist but I think I have a good understanding of what I am trying to do. Here is ...
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1answer
97 views

Why is Time evolving block decimation so efficient?

I have a short question about Time evolving block decimation (TEBD). During a lecture I was told that this method is very efficient in evolving 1D quantum spin systems with only nearest neighbor ...
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1answer
517 views

1-D turbulent energy spectra in homogeneous direction (non-isotropic)

I am trying to compute the one-dimensional energy spectra for my channel-flow simulation. I have already written a post-processing script to achieve this; however, I need to validate my code before ...
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1answer
334 views

Time Reversibility of Velocity Verlet Algorithm

I'm very new to computational Physics and am finding conflicting statements on whether the velocity Verlet algorithm, defined as: $\begin{align} x_{n+1} &= x_n + v_n \Delta t + \frac{1}{2} a_n \...
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2answers
159 views

How can I learn Scientific Python?

I am an intermediate user of Matlab and Mathematica, but I would really love to start learning Python language for scientific purposes (I am interested in Maths and Physics). Could please someone ...
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2answers
75 views

Integrate a function from samples using computer codes

I have a function $c ( I (\vec{r}) )$. Not a constant, $c$ doesn't denote a constant. So $c$ is a function of $I$ which is a function of $\vec{r}$. $I$ is an intensity (W/cm2). This $c$ is hard to ...
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2answers
97 views

Efficient schemes for solving the extended Saddle point problem

I am interested in knowing some efficient techniques for solving the following extended Saddle point problem. \begin{align} \begin{bmatrix} A & B^T & C^T \\ B & 0 & 0 \\ C & ...
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1answer
127 views

N-body problem with differents solvers (RK2, RK4, Euler symplectic, Stormer-Verlet) : planets drift to infinity

I'm trying to write an integrator for the 2 and 3-body problem. I choose to start from a generalisation to N-body problem so I can just pass my bodies to the same integrator in the two cases. I'm ...
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1answer
120 views

Finite element method for high-frequency electromagnetics

I am writing a project about the Finite element method for use in high-frequency solutions of Maxwell's equations. This could be for use in antenna design and similar. I have some trouble ...
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101 views

Solving coupled PDEs with self-consistency condition

I am figuring out how to attack a problem (the Usadel equations of superconductivity) in which I need to solve a set of nonlinear PDEs for the fields $\{G_i (r)\}$ $$ U(G_i(r), \nabla G_i(r), \Delta(r)...
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1answer
110 views

Plotting the difference between an exponential and its Taylor expansion as a function of number of terms?

I'm terribly green, please forgive me. I need to plot the difference between a chosen calculated Taylor expansion $e^x=1+x+\frac {x^2}{2!}+\frac {x^3}{3!}+\frac {x^4}{4!}+\frac {x^5}{5!}$... and the ...
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2answers
114 views

Generating particles from a distribution function using Monte Carlo

I have been given a 4D ($x, y, v_x, v_y$) distribution function, $f(x,y,v_x, v_y)$, generated by an external code. I want to generate a set of particles from this distribution function, say 10k ...
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1answer
90 views

Implementation of Source Panel Method as Described in Katz Plotkin Book

I am currently trying to implement Source Panel method as described in Katz and Plotkin in Low Speed Aerodynamics. I have successfully implemented two previous methods. However, I am fully blocked on ...
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1answer
435 views

General case Kutta condition

I'm working on a 2D inviscid fluid simulation using a "panel method", with Potential being used to enforce the no-through boundary condition. I'm trying to incorporate the Kutta condition, which says ...
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1answer
196 views

Solving an ODE using odeint in Python and continuing the integration

The following relates to the linked question: Scattering of waves in a symmetrical potential (using python) I have attempted to solve the problem for $U(r)$ using ...
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2answers
82 views

Numerically solving the equation of motion for inflation in cosmology

I want to solve the equation of inflation involving a scalar field numerically using Python libraries such as odeint or scipy. ...
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1answer
248 views

Saving Data in Multiple Columns with np.savetxt

I have managed to write the following code for the following problem: Projectile's horizontal and vertical displacement are given by: $$ x = v_0 \, t \cos(\theta) $$ $$ y = v_0 \, t \sin(\theta) - \...
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1answer
96 views

Good method for correlated samples and estimating autocorrelation times

I'm working on a Monte Carlo project similar to the Ising model. I've found many examples on which I've based my code. From some papers I read on binning analysis, the errors after each binning step ...
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36 views

Numerical dispersion in FDTD

I was reading the book "Computational Electrodynamics: The FDTD method" by Taflove and Hagness, probably the most cited book when it comes to the FDTD method in Electromagnetics. In the ...
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2answers
119 views

Diagonalization using LAPACK

Say, we have a Hamiltonian which for simplicity does not mix particle hole sectors. It is just a simple Hamiltonian in real space as shown, $H=\sum_{ij,\sigma} A(i,j)(c_{i\sigma}^{\dagger}c_{j\sigma} +...
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81 views

Finding the extrema of a transition probability function for a quantum walker on a graph

The goal Implement some Python code to find the extrema points of a function that is strongly oscillating. The background Let $G$ be a connected graph with $n$ points with Laplacian matrix $L(G)$. We ...
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1answer
56 views

Electrostatic Force - Simulate Trajectory of Test Particle using Runge Kutta - Force always Repels

In the center of a 2D-Plane a positive static charge Q is placed with position r_prime. This charge creates a static electrical Field E. Now i want to place a test particle with charge Q and position ...
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61 views

Pseudospectral method for Rayleigh-Benard with constant temperature gradient

$$ \nabla\cdot \mathbf{u} = 0 \\ \frac{\partial \mathbf{u}}{\partial t}+\left(\mathbf{u}\cdot \nabla\right)\mathbf{u} = -\nabla p+\nu\nabla^2\mathbf{u}+\alpha g\theta\mathbf{e}_z\\ \frac{\partial\...
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2answers
67 views

Numerical minimization of the action in python

I want to find the trajectory $x(t)$ which minimizes the action $S = \int_{t_i}^{t_f} L(x(t), \dot{x}(t)) \mathrm{d}t$ numerically. I am trying to do it by discretizing the action so it is more of a ...
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1answer
110 views

How can I implement second order derivatives of shape functions of a 3D elements?

I am developing an Abaqus UEL with 3D 8 nodes brick elements and I need second order derivatives of the shape functions, I have already mapped the first order derivatives from the element coordinates ...
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3answers
214 views

Draw magnetic field lines or vector field of a magnetic dipole - Python/Matplotlib

In the Wikipedia article on magnetic moments, subsection "Effects on environment" defines the magnetic field H of a magnetic dipole moment. Additionally the magnetic field lines of this ...
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87 views

Why does FDTD and FIT disregard Gauss's law?

This is a reformulation of a question I asked a couple of days ago. I'm posting it again because I believe the previous post was very unclear, I will probably delete the previous question. My question ...
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63 views

Python routine to calculate shape resonances of H2

I am currently doing a project in which my aim is to write a program that can be used to calculate single and multi-channel shape resonances. So I'm looking at bound states and quasi-bound states. ...
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48 views

Simulating a combustion process

I want to try simulation-(and not experimental)-driven approach to design custom fireplace fuel burners. What software applications, libraries, code and model templates can I use to model and ...
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45 views

Integrating a wavelike equation with absorbing boundary conditions

I am trying to numerically solve the following equation: $\frac{\partial^{2} \phi}{\partial t^{2}}-\frac{\partial^{2} \phi}{\partial x^{2}}+V(x) \phi(x, t)=0$ On some domain, with: $\phi(x, 0) = I(x)$ ...
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1answer
68 views

Error too large in leapfrog method for solving the wave equation of a vibrating string

I have been trying to figure out what I did wrong for the last two days. I do not know if I actually did something wrong or if the error is supposed to be this large in usual leapfrog problems. I ...
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1answer
69 views

Smoothed Particle Hydrodynamics: Weird clustering of particles. Is that normal?

I implemented a rather simple SPH simulation using a cubic-spline-kernel and a simple non-iterative pressure solver as described in this PDF in equation 9. I followed algorithm 1 of that paper (...
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1answer
71 views

Acoustic Simulation, how are boundaries handled?

I don't have a background in numerical modeling so this question is rather broad. What I am interested in is modeling the propagation of an ultrasonic acoustic wave in 3d space. The basic 3d wave ...
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46 views

Unsteady Stokes equations in ALE framework

I'm trying to solve Unsteady Stokes equations on a moving domain, using an ALE formulation, that is $$\frac{\partial \mathbf{u}}{\partial t} - \mathbf{w}\cdot \nabla\mathbf{u} = \nu\Delta\mathbf{u} - \...
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1answer
97 views

Getting streamline for a lid driven cavity flow in openFoam/ParaView

I have installed openFoam on Debian GNU/Linux and learning from official user guide. I have a problem with generating streamlines. I am trying to generate streamlines as explained in the post ...
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1answer
38 views

Trouble Estimating Motor Parameters with Least Squares in MATLAB

Basically, I'm trying to use Least-Squares to estimate the parameters of a DC motor. My system can be modeled by the following matrix equation: $$\begin{bmatrix}V_{input}(t)\\0\end{bmatrix}=\begin{...
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1answer
70 views

Cauchy Lorentzian simulation on FFT with oscillation

Recently I do simulation on Lorentzian Function with FFT Lorentzian Function is 2a/(x**2+a**2) ...
3
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2answers
142 views

Why are fluid simulations so hard?

Fluid simulations solving the hydrodynamic (HD) or the magneto-hydrodynamic (MHD) equations are very useful in physics, the latter being particularly useful for modeling plasmas. Of course these ...
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1answer
138 views

Conserve energy by message passing?

There are $N$ particles with positions $x_i(t)$ and velocities $v_i(t)$ and mass 1. There is a potential function $U_{i,j}(x_i, x_j)$ between each pair of particles, which is $0$ unless the particles ...
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0answers
53 views

Why is perfect sampling not used in large-scale lattice model simulations?

The statistical physics literature is replete with papers describing simulations of lattice models, such as the Ising model. Typically, these are done through Monte Carlo methods, such as the ...
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1answer
71 views

Solution of Coupled Differential equation for a 2d linear flow using RK4 method in python 3

I want to study the dynamics of a 2d linear flow, whose dynamical equation is- $\begin{pmatrix} \dot{x_1}\\ \dot{x_2}\\ \end{pmatrix}=\begin{pmatrix} 1 & 1\\ 4 & -2\\ \end{pmatrix}\begin{...
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1answer
90 views

Best practice for ADTs in computational science with Fortran

I have been writing a software package in Fortran for solution of the Vlasov-Poisson system in 2D2V. I want this software to be useful beyond its current application (e.g. systems with different ...
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0answers
102 views

Solving 1D wave equation with finite difference method

I've written a code in Python to solve the 1D wave equation with the finite difference method (the explicit and the implicit methods). I'm trying to perform a mesh convergence study to estimate the ...
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1answer
65 views

Sum of random variables - Check your derived distribution against a numerical calculation/histogram

Consider independent random variates $X_0, X_1, . . .$ each uniformly distributed on the support $[0, 1)$ Let's say $Y = X_0 + X_1$, where $X_0$ and $X_1$ are independent uniform random variables with ...
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1answer
106 views

Trouble Making 3rd-Order Sympletic Integrator for Planitary N-Body Problem (A Hamiltonian System)

I am doing a solar-system simulation. I am using Ruth's 3rd order sympletic integrator to avoid the problem of Energy Drift (which I had with RK4), but the the planets quickly leave orbit, and energy ...
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0answers
26 views

Negative binomial expansion of general symbolic polynomial

Using Sympy, I would like to compute the negative binomial expansion of a general symbolic polynomial, e.g., $(x_1 + x_2 + x_3 + 4 x_4)^{-1}$. I understand that I can go by recursively partitioning ...
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0answers
58 views

Problems with simulation of a spatial filter 4f setup (Python)

I have a question about my code which computes numerically the output field of a 4f setup with a pinhole in the middle which works as a spatial filter. My setup consists of two lenses with 50mm focal ...

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